Crystallography Open Database

Information card for entry 1512144

Preview

Coordinates	1512144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H26 O5
Calculated formula	C13 H26 O5
SMILES	C1(C[C@@H]([C@H]([C@H]([C@@]1(/C=C/[C@H](C)O)O)C)O)O)(C)C.O
Title of publication	Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.
Authors of publication	Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	7
Pages of publication	1303 - 1312
a	6.0818 ± 0.0002 Å
b	19.4319 ± 0.0007 Å
c	12.9792 ± 0.0004 Å
α	90°
β	90.883 ± 0.002°
γ	90°
Cell volume	1533.71 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512144.cif
87856	2013-08-27	cif/ Adding structures of 1512144 via cif-deposit CGI script.	1512144.cif